(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide

C25H42N4O4S — CID 124771785

IUPAC(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2[C@H](C)CCC[C@@H]2C)C1
InChIInChI=1S/C25H42N4O4S/c1-5-29(23-12-14-24(33-4)15-13-23)34(31,32)27-17-7-11-22(19-27)25(30)26-16-8-18-28-20(2)9-6-10-21(28)3/h12-15,20-22H,5-11,16-19H2,1-4H3,(H,26,30)/t20-,21+,22-/m1/s1
InChIKeyAVXCSJVJMBQBBW-BHIFYINESA-N
MW494.70 g/mol
LogP3.25
Rot. Bonds10

About (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide

(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide (PubChem CID 124771785) has the molecular formula C25H42N4O4S and a molecular weight of 494.70 g/mol. Its IUPAC name is (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
PubChem CID124771785
Molecular FormulaC25H42N4O4S
Molecular Weight494.70 g/mol
Exact Mass494.29
IUPAC Name(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2[C@H](C)CCC[C@@H]2C)C1
InChIInChI=1S/C25H42N4O4S/c1-5-29(23-12-14-24(33-4)15-13-23)34(31,32)27-17-7-11-22(19-27)25(30)26-16-8-18-28-20(2)9-6-10-21(28)3/h12-15,20-22H,5-11,16-19H2,1-4H3,(H,26,30)/t20-,21+,22-/m1/s1
InChIKeyAVXCSJVJMBQBBW-BHIFYINESA-N
XLogP3.25
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552950
(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92687154
1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
CID 22553021
(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 92687172
N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552953
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 93177419
(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 129424366
1-(4-methoxyphenyl)sulfonyl-N-(4-methylpentyl)piperidine-3-carboxamide
CID 134023366
(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92687219
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124759709
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93050150

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide (CID 124771785) is (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide is CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2[C@H](C)CCC[C@@H]2C)C1.
What is the InChIKey of (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The InChIKey is AVXCSJVJMBQBBW-BHIFYINESA-N. The full InChI is InChI=1S/C25H42N4O4S/c1-5-29(23-12-14-24(33-4)15-13-23)34(31,32)27-17-7-11-22(19-27)25(30)26-16-8-18-28-20(2)9-6-10-21(28)3/h12-15,20-22H,5-11,16-19H2,1-4H3,(H,26,30)/t20-,21+,22-/m1/s1.
What are the key properties of (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide has a molecular weight of 494.70 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 124771785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).